ChemSpider 2D Image | 2-Acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-[6-deoxy-L-galactopyranosyl-(1->2)]-beta-D-galactopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranos yl-(1->3)-beta-D-galactopyranosyl-(1->4)-D-glucose | C46H78N2O34

2-Acetamido-2-deoxy-α-D-galactopyranosyl-(1->3)-[6-deoxy-L-galactopyranosyl-(1->2)]-β-D-galactopyranosyl-(1->3)-[6-deoxy-α-L-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-β-D-glucopyranos yl-(1->3)-β-D-galactopyranosyl-(1->4)-D-glucose

  • Molecular FormulaC46H78N2O34
  • Average mass1203.104 Da
  • Monoisotopic mass1202.443604 Da
  • ChemSpider ID59651615

  • defined stereocentres - 33 of 34 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Acetamido-2-deoxy-α-D-galactopyranosyl-(1->3)-[6-deoxy-L-galactopyranosyl-(1->2)]-β-D-galactopyranosyl-(1->3)-[6-deoxy-α-L-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-β-D-glucopyranos yl-(1->3)-β-D-galactopyranosyl-(1->4)-D-glucose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-α-D-galactopyranosyl-(1->3)-[6-desoxy-L-galactopyranosyl-(1->2)]-β-D-galactopyranosyl-(1->3)-[6-desoxy-α-L-galactopyranosyl-(1->4)]-2-acetamido-2-desoxy-β-D-glucopyr anosyl-(1->3)-β-D-galactopyranosyl-(1->4)-D-glucose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-α-D-galactopyranosyl-(1->3)-[6-désoxy-L-galactopyranosyl-(1->2)]-β-D-galactopyranosyl-(1->3)-[6-désoxy-α-L-galactopyranosyl-(1->4)]-2-acétamido-2-désoxy-β-D-glucopyr anosyl-(1->3)-β-D-galactopyranosyl-(1->4)-D-glucose [French] [ACD/IUPAC Name]
6-Deoxy-α-L-galactopyranosyl-(1->4)-[6-deoxy-L-galactopyranosyl-(1->2)-[2-deoxy-2-[(E)-(1-hydroxyethylidene)amino]-α-D-galactopyranosyl-(1->3)]-β-D-galactopyranosyl-(1->3)]-2-deoxy-2-[(Z)-( 
1-hydroxyethylidene)amino]-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-D-glucose [ACD/IUPAC Name]
6-Desoxy-α-L-galactopyranosyl-(1->4)-[6-desoxy-L-galactopyranosyl-(1->2)-[2-desoxy-2-[(E)-(1-hydroxyethyliden)amino]-α-D-galactopyranosyl-(1->3)]-β-D-galactopyranosyl-(1->3)]-2-desoxy-2-[(Z 
)-(1-hydroxyethyliden)amino]-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-D-glucose [German] [ACD/IUPAC Name]
6-Désoxy-α-L-galactopyranosyl-(1->4)-[6-désoxy-L-galactopyranosyl-(1->2)-[2-désoxy-2-[(E)-(1-hydroxyéthylidène)amino]-α-D-galactopyranosyl-(1->3)]-β-D-galactopyranosyl-(1->3)]-2-désoxy-2-[( 
Z)-(1-hydroxyéthylidène)amino]-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-D-glucose [French] [ACD/IUPAC Name]
D-Glucose, O-2-(acetylamino)-2-deoxy-α-D-galactopyranosyl-(1->3)-O-[6-deoxy-L-galactopyranosyl-(1->2)]-O-β-D-galactopyranosyl-(1->3)-O-[6-deoxy-α-L-galactopyranosyl-(1->4)]-O-2-(acetylamino 
)-2-deoxy-β-D-glucopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->4)- [ACD/Index Name]
D-Glucose, O-6-deoxy-α-L-galactopyranosyl-(1->4)-O-[O-6-deoxy-L-galactopyranosyl-(1->2)-O-[2-deoxy-2-[[(1E)-1-hydroxyethylidene]amino]-α-D-galactopyranosyl-(1->3)]-β-D-galactopyranosyl-(1-> 
3)]-O-2-deoxy-2-[[(1Z)-1-hydroxyethylidene]amino]-β-D-glucopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->4)- [ACD/Index Name]
76472-96-3 [RN]
A-Heptasaccharide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 1518.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 263.3±6.0 kJ/mol
Flash Point: 872.3±34.3 °C
Index of Refraction: 1.660
Molar Refractivity: 260.0±0.4 cm3
#H bond acceptors: 36
#H bond donors: 21
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: -2.06
ACD/LogD (pH 5.5): -3.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 570 Å2
Polarizability: 103.1±0.5 10-24cm3
Surface Tension: 107.9±5.0 dyne/cm
Molar Volume: 704.3±5.0 cm3

Click to predict properties on the Chemicalize site


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